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2-Hydroxyoctan-4-one
SpectraBase Compound ID DwmVpKEUoNA
InChI InChI=1S/C8H16O2/c1-3-4-5-8(10)6-7(2)9/h7,9H,3-6H2,1-2H3
InChIKey BLXXTONMZKDTPX-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtIMRXjH7GT
Name 2-Hydroxyoctan-4-one
Appearance Colourless oil
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
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Exact Mass 144.115029753 u
Formula C8H16O2
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C8H16O2/c1-3-4-5-8(10)6-7(2)9/h7,9H,3-6H2,1-2H3
InChIKey BLXXTONMZKDTPX-UHFFFAOYSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 144.214 g/mol
Quality 258
SMILES OC(C)CC(CCCC)=O
SPLASH splash10-052f-9000000000-060d1b582451c770d56d
Source of Spectrum QE-27-SM54-S17 (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.14 (SiO2, cHex/EtOAc, 5:1)
Wiley ID 1902019